2-[[5-azanyl-2-(phenylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-azanyl-2-(phenylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5-amino-2-benzyl-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-amino-2-(phenylmethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5-amino-2-benzylbenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5-amino-2-benzyl-benzoyl)amino]-4-(methylthio)butyric acid Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)N)CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)N)CC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3S/c1-25-10-9-17(19(23)24)21-18(22)16-12-15(20)8-7-14(16)11-13-5-3-2-4-6-13/h2-8,12,17H,9-11,20H2,1H3,(H,21,22)(H,23,24)